Molecule card · MolClass #51095
17409024
17409024: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17409024Mitochondrial Fusion · compound_name
- MolClass ID
- 51095
- InChIKey
- PIVKNLIHWWAAAT-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(c1ccccc1)c(O)c3(C=C2C(=O)NC(NC2(=O))=S)
- Standard InChI
- InChI=1S/C15H12N4O3S/c1-8-10(7-11-12(20)16-15(23)17-13(11)21)14(22)19(18-8)9-5-3-2-4-6-9/h2-7,22H,1H3,(H2,16,17,20,21,23)
- Stored Murcko scaffold
- n1cc(C=C2[CH]N[CH]N[CH]2)cn1-c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.269
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17409024